N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide

C21H18N2O5S — CID 43979320

IUPACN-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide
SMILESCCn1/c(=N/C(=O)c2coc3ccccc3c2=O)sc2cc(OC)c(OC)cc21
InChIInChI=1S/C21H18N2O5S/c1-4-23-14-9-16(26-2)17(27-3)10-18(14)29-21(23)22-20(25)13-11-28-15-8-6-5-7-12(15)19(13)24/h5-11H,4H2,1-3H3/b22-21-
InChIKeyPMFANAJEOINTBH-DQRAZIAOSA-N
MW410.45 g/mol
LogP3.59
Rot. Bonds4

About N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide

N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide (PubChem CID 43979320) has the molecular formula C21H18N2O5S and a molecular weight of 410.45 g/mol. Its IUPAC name is N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide
PubChem CID43979320
Molecular FormulaC21H18N2O5S
Molecular Weight410.45 g/mol
Exact Mass410.09
IUPAC NameN-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide
SMILESCCn1/c(=N/C(=O)c2coc3ccccc3c2=O)sc2cc(OC)c(OC)cc21
InChIInChI=1S/C21H18N2O5S/c1-4-23-14-9-16(26-2)17(27-3)10-18(14)29-21(23)22-20(25)13-11-28-15-8-6-5-7-12(15)19(13)24/h5-11H,4H2,1-3H3/b22-21-
InChIKeyPMFANAJEOINTBH-DQRAZIAOSA-N
XLogP3.59
TPSA83.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide
CID 41134445
N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide
CID 4106571
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide
CID 40951488
N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide
CID 7154071
2-bromo-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide
CID 41092042
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-4-oxochromene-3-carboxamide
CID 4106125
4-oxo-N-(3-propyl-1,3-benzothiazol-2-ylidene)chromene-3-carboxamide
CID 7540518
methyl 2-[6-(4-oxochromene-3-carbonyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate
CID 41007151
methyl 2-[6-fluoro-2-(4-oxochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
CID 4296613
ethyl 2-[2-(4-oxochromene-3-carbonyl)imino-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-3-yl]acetate
CID 41006656
N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-oxochromene-3-carboxamide
CID 4185680
methyl 2-[4,6-dimethyl-2-(4-oxochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
CID 41204916

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide?
The IUPAC name of N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide (CID 43979320) is N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide?
The canonical SMILES for N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide is CCn1/c(=N/C(=O)c2coc3ccccc3c2=O)sc2cc(OC)c(OC)cc21.
What is the InChIKey of N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide?
The InChIKey is PMFANAJEOINTBH-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H18N2O5S/c1-4-23-14-9-16(26-2)17(27-3)10-18(14)29-21(23)22-20(25)13-11-28-15-8-6-5-7-12(15)19(13)24/h5-11H,4H2,1-3H3/b22-21-.
What are the key properties of N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide?
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide is sourced from PubChem (CID 43979320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).